10-phenyl-3-(3,5,7,10-tetrazahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,11,13,15,17,19(23),20-undecaen-11-yl)phenoxazine

C37H21N5O — CID 90086758

IUPAC10-phenyl-3-(3,5,7,10-tetrazahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,11,13,15,17,19(23),20-undecaen-11-yl)phenoxazine
SMILESc1ccc(N2c3ccccc3Oc3cc(-c4c5c6ccccc6c6cccc(c65)c5nc6ncncc6n45)ccc32)cc1
InChIInChI=1S/C37H21N5O/c1-2-9-23(10-3-1)41-28-15-6-7-16-31(28)43-32-19-22(17-18-29(32)41)35-34-26-12-5-4-11-24(26)25-13-8-14-27(33(25)34)37-40-36-30(42(35)37)20-38-21-39-36/h1-21H
InChIKeyMQQKCYYJGCWPEP-UHFFFAOYSA-N
MW551.61 g/mol
LogP9.42
Rot. Bonds2

About 10-phenyl-3-(3,5,7,10-tetrazahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,11,13,15,17,19(23),20-undecaen-11-yl)phenoxazine

10-phenyl-3-(3,5,7,10-tetrazahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,11,13,15,17,19(23),20-undecaen-11-yl)phenoxazine (PubChem CID 90086758) has the molecular formula C37H21N5O and a molecular weight of 551.61 g/mol. Its IUPAC name is 10-phenyl-3-(3,5,7,10-tetrazahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,11,13,15,17,19(23),20-undecaen-11-yl)phenoxazine.

Molecular Properties

Compound Name10-phenyl-3-(3,5,7,10-tetrazahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,11,13,15,17,19(23),20-undecaen-11-yl)phenoxazine
PubChem CID90086758
Molecular FormulaC37H21N5O
Molecular Weight551.61 g/mol
Exact Mass551.17
IUPAC Name10-phenyl-3-(3,5,7,10-tetrazahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,11,13,15,17,19(23),20-undecaen-11-yl)phenoxazine
SMILESc1ccc(N2c3ccccc3Oc3cc(-c4c5c6ccccc6c6cccc(c65)c5nc6ncncc6n45)ccc32)cc1
InChIInChI=1S/C37H21N5O/c1-2-9-23(10-3-1)41-28-15-6-7-16-31(28)43-32-19-22(17-18-29(32)41)35-34-26-12-5-4-11-24(26)25-13-8-14-27(33(25)34)37-40-36-30(42(35)37)20-38-21-39-36/h1-21H
InChIKeyMQQKCYYJGCWPEP-UHFFFAOYSA-N
XLogP9.42
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.61
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-phenyl-3-(3,5,7,10-tetrazahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,11,13,15,17,19(23),20-undecaen-11-yl)phenoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-3-(3,5,7,10-tetrazahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,11,13,15,17,19(23),20-undecaen-11-yl)phenoxazine?
The IUPAC name of 10-phenyl-3-(3,5,7,10-tetrazahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,11,13,15,17,19(23),20-undecaen-11-yl)phenoxazine (CID 90086758) is 10-phenyl-3-(3,5,7,10-tetrazahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,11,13,15,17,19(23),20-undecaen-11-yl)phenoxazine.
What is the SMILES notation for 10-phenyl-3-(3,5,7,10-tetrazahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,11,13,15,17,19(23),20-undecaen-11-yl)phenoxazine?
The canonical SMILES for 10-phenyl-3-(3,5,7,10-tetrazahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,11,13,15,17,19(23),20-undecaen-11-yl)phenoxazine is c1ccc(N2c3ccccc3Oc3cc(-c4c5c6ccccc6c6cccc(c65)c5nc6ncncc6n45)ccc32)cc1.
What is the InChIKey of 10-phenyl-3-(3,5,7,10-tetrazahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,11,13,15,17,19(23),20-undecaen-11-yl)phenoxazine?
The InChIKey is MQQKCYYJGCWPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21N5O/c1-2-9-23(10-3-1)41-28-15-6-7-16-31(28)43-32-19-22(17-18-29(32)41)35-34-26-12-5-4-11-24(26)25-13-8-14-27(33(25)34)37-40-36-30(42(35)37)20-38-21-39-36/h1-21H.
What are the key properties of 10-phenyl-3-(3,5,7,10-tetrazahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,11,13,15,17,19(23),20-undecaen-11-yl)phenoxazine?
10-phenyl-3-(3,5,7,10-tetrazahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,11,13,15,17,19(23),20-undecaen-11-yl)phenoxazine has a molecular weight of 551.61 g/mol, XLogP of 9.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-3-(3,5,7,10-tetrazahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,11,13,15,17,19(23),20-undecaen-11-yl)phenoxazine is sourced from PubChem (CID 90086758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).